CID 13836135

Ethyl 3-amino-4-methyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)C1=C(C(=NN1)N)C
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)6(8)10-9-5/h3H2,1-2H3,(H3,8,9,10)
InChIKey
JCKWEVDJCAISNG-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

169.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 135.7
[M+Na]+ 192.074348 144.4
[M-H]- 168.077854 135.5
[M+NH4]+ 187.118953 154.4
[M+K]+ 208.048288 142.6
[M+H-H2O]+ 152.082390 128.9
[M+HCOO]- 214.083331 157.5
[M+CH3COO]- 228.098981 178.1
[M+Na-2H]- 190.059796 138.7
[M]+ 169.08458142 135.1
[M]- 169.08567858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe